4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]-1,4-benzoxazin-3-one Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H26N2O4/c1-28-18-12-10-17(11-13-18)19-7-3-2-6-14-24(19)22(26)15-25-20-8-4-5-9-21(20)29-16-23(25)27/h4-5,8-13,19H,2-3,6-7,14-16H2,1H3/t19-/m1/s1